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Ligand · RN2

RN2 · Calpeptin

RN2, Calpeptin (C20 H32 N2 O4, 364.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
RN2
Formula
C20 H32 N2 O4
Class
ligand
Structures
4
PDB entries
4

Binding sites

RN2 in 4 structures; the first of them:

  • 7QGW · Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections · RN2 A309 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY61, GLN63, ASN66 and 10 more
  • 7QKC · Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin · RN2 A303 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, GLY61, GLU63 and 12 more
  • 7Z58 · Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin · RN2 A306 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, GLY61, GLU63 and 12 more
  • 7AKU · Structure of SARS-cov-2 main protease bound to calpeptin. · RN2 A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, CYS145, HIS163 and 5 more

Residues it binds most

GLY 11, CYS 11, MET 11, GLN 11, HIS 11, ASN 11, ASP 11, LEU 11, ALA 10, SER 10 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • PGE · Triethylene glycol

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